User contributions for Vaspmaster

19:2019:20, 5 December 2012 diff hist +694‎ LMAXTAU ‎No edit summary
18:5318:53, 5 December 2012 diff hist +20‎ LMAXTAU ‎No edit summary
18:5218:52, 5 December 2012 diff hist +85‎ LMAXTAU ‎No edit summary
18:4818:48, 5 December 2012 diff hist +4‎ LMAXTAU ‎No edit summary
18:4618:46, 5 December 2012 diff hist +295‎ N LMAXTAU ‎ Created page with '{{TAGDEF|LMAXTAU|[integer]}} {{DEF|LMAXTAU|6|if {{TAG|LASPH}}=.TRUE.|0|else}} Description: {{TAG|LMAXTAU}} is ---- == Related Tags and Sections == {{TAG|METAGGA}}, {{TAG|CMBJ}}…'
18:0618:06, 5 December 2012 diff hist +1‎ LASPH ‎No edit summary
18:0618:06, 5 December 2012 diff hist +1‎ CMBJB ‎No edit summary
18:0618:06, 5 December 2012 diff hist +1‎ CMBJA ‎No edit summary
18:0618:06, 5 December 2012 diff hist +1‎ CMBJ ‎No edit summary
18:0518:05, 5 December 2012 diff hist 0‎ CMBJ ‎No edit summary
18:0518:05, 5 December 2012 diff hist 0‎ CMBJA ‎No edit summary
18:0518:05, 5 December 2012 diff hist 0‎ CMBJB ‎No edit summary
18:0418:04, 5 December 2012 diff hist +1,270‎ N LASPH ‎ Created page with '{{TAGDEF|LASPH|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: include non-spherical contributions to the gradient corrections in the PAW spheres. ---- Usually VASP calculates only …'
17:4417:44, 5 December 2012 diff hist +369‎ N CMBJB ‎ Created page with '{{TAGDEF|CMBJB|[real]|1.023}} Description: sets the β parameter in the modified Becke-Johnson metagga potential. ---- See the description of the {{TAG|METAGGA}} or {{TAG|CM…'
17:4317:43, 5 December 2012 diff hist +377‎ N CMBJA ‎ Created page with '{{TAGDEF|CMBJA|[real]|−0.012}} Description: sets the α parameter in the modified Becke-Johnson metagga potential. ---- See the description of the {{TAG|METAGGA}} or …'
17:1217:12, 5 December 2012 diff hist +3,176‎ CMBJ ‎No edit summary
16:5516:55, 5 December 2012 diff hist +260‎ N CMBJ ‎ Created page with '{{TAGDEF|CMBJ|[real (array)]|calculated selfconsistently}} Description: ---- == Related Tags and Sections == {{TAG|METAGGA}}, {{TAG|CMBJA}}, {{TAG|CMBJB}}, {{TAG|LASPH}}, {{TAG…'
16:2816:28, 5 December 2012 diff hist +2‎ LCHIMAG ‎No edit summary
16:0816:08, 5 December 2012 diff hist +1,005‎ N NLSPLINE ‎ Created page with '{{TAGDEF|NLSPLINE|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: construct the PAW projectors in reciprocal space using spline interpolation so that they are ''k''-differentiable…'
14:2514:25, 5 December 2012 diff hist +1,063‎ N LNMR SYM RED ‎ Created page with '{{TAGDEF|LNMR_SYM_RED| .TRUE. {{!}} .FALSE. | .FALSE.}} Description: discard symmetry operations that are not consistent with the way ''k''-space derivative are calculated in th…'
14:1614:16, 5 December 2012 diff hist +900‎ N ICHIBARE ‎ Created page with '{{TAGDEF|ICHIBARE| 1 {{!}} 2 {{!}} 3 | 1}} Description: determines the order of the finite difference stencil used to calculate the magnetic susceptibility. ---- {{TAG|ICHIBARE…'
14:0414:04, 5 December 2012 diff hist +419‎ N DQ ‎ Created page with '{{TAGDEF|DQ|[real]| 0.001}} Description: step size for the finite difference ''k''-space derivative in the linear response calculation of chemical shifts. ---- Typical values fo…'
14:0014:00, 5 December 2012 diff hist +19‎ LCHIMAG ‎No edit summary

17:1617:16, 4 December 2012 diff hist +1,829‎ LCHIMAG ‎No edit summary
17:0817:08, 4 December 2012 diff hist +915‎ LCHIMAG ‎No edit summary
17:0317:03, 4 December 2012 diff hist +581‎ LCHIMAG ‎No edit summary
16:5616:56, 4 December 2012 diff hist +2,786‎ LCHIMAG ‎No edit summary
16:3516:35, 4 December 2012 diff hist +789‎ LCHIMAG ‎No edit summary
16:2516:25, 4 December 2012 diff hist +941‎ N LCHIMAG ‎ Created page with '{{TAGDEF|LCHIMAG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- <ref name="pickard:prb:01"/><ref name="yates:prb:07"/><ref name="mason:ssn:93"/><ref name="gregor:jcp:99"/> …'
01:3701:37, 4 December 2012 diff hist +1‎ LEFG ‎No edit summary
01:3701:37, 4 December 2012 diff hist +192‎ LEFG ‎No edit summary
01:2901:29, 4 December 2012 diff hist −4‎ QUAD EFG ‎ →‎References
01:2801:28, 4 December 2012 diff hist +7‎ QUAD EFG ‎ →‎References
01:2601:26, 4 December 2012 diff hist −13‎ QUAD EFG ‎ →‎References
01:2501:25, 4 December 2012 diff hist +1‎ QUAD EFG ‎ →‎References
01:0101:01, 4 December 2012 diff hist +1‎ QUAD EFG ‎No edit summary
01:0001:00, 4 December 2012 diff hist +44‎ QUAD EFG ‎No edit summary
00:5900:59, 4 December 2012 diff hist +1,530‎ N QUAD EFG ‎ Created page with '{{TAGDEF|QUAD_EFG|[real array]|NTYP*1.0}} Description: nuclear quadrupole moment (in millbarn) for the atomic types on the {{FILE|POTCAR}} file. ---- Setting the {{TAG|QUAD_EFG}…'
00:4300:43, 4 December 2012 diff hist +940‎ LEFG ‎No edit summary
00:3400:34, 4 December 2012 diff hist +15‎ LEFG ‎No edit summary
00:3200:32, 4 December 2012 diff hist +622‎ N LEFG ‎ Created page with '{{TAGDEF|LEFG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: compute the electric field gradients at positions of the atomic nuclei. ---- For {{TAG|LEFG}}=.TRUE., the electric fi…'

19:1019:10, 3 December 2012 diff hist +610‎ N NGYROMAG ‎ Created page with '{{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios for the atomic types on the {{FILE|POTCAR}} file. ---- By mean…'
19:0319:03, 3 December 2012 diff hist +53‎ Category:INCAR ‎No edit summary
18:5118:51, 3 December 2012 diff hist 0‎ LHYPERFINE ‎No edit summary
18:5018:50, 3 December 2012 diff hist +2,826‎ LHYPERFINE ‎No edit summary
18:4018:40, 3 December 2012 diff hist +2,257‎ LHYPERFINE ‎No edit summary
18:2018:20, 3 December 2012 diff hist +29‎ LHYPERFINE ‎No edit summary
18:1918:19, 3 December 2012 diff hist +56‎ LHYPERFINE ‎No edit summary
18:1718:17, 3 December 2012 diff hist +172‎ N LHYPERFINE ‎ Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- == Related Tags and Sections == {{TAG|NGYROMAG}} ---- Contents Category:INCAR'
15:5215:52, 3 December 2012 diff hist +98‎ LKPROJ ‎No edit summary

5 December 2012

4 December 2012

3 December 2012